4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide

C15H20BrNO3 — CID 115369278

IUPAC4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C15H20BrNO3/c1-17(10-11-5-7-20-8-6-11)15(18)13-4-3-12(16)9-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyTYOWYMXZAIGUKJ-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide

4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 115369278) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID115369278
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C15H20BrNO3/c1-17(10-11-5-7-20-8-6-11)15(18)13-4-3-12(16)9-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyTYOWYMXZAIGUKJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 114978342
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 115369278) is 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide is COc1cc(Br)ccc1C(=O)N(C)CC1CCOCC1.
What is the InChIKey of 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is TYOWYMXZAIGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-17(10-11-5-7-20-8-6-11)15(18)13-4-3-12(16)9-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide?
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 342.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 115369278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).